2-cyclobutyl-3,3-difluoroazepine;hydrochloride

C10H12ClF2N — CID 175212819

IUPAC2-cyclobutyl-3,3-difluoroazepine;hydrochloride
SMILESCl.FC1(F)C=CC=CN=C1C1CCC1
InChIInChI=1S/C10H11F2N.ClH/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;1H
InChIKeyAYQUQANJYCDMDQ-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.37
Rot. Bonds1

About 2-cyclobutyl-3,3-difluoroazepine;hydrochloride

2-cyclobutyl-3,3-difluoroazepine;hydrochloride (PubChem CID 175212819) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-cyclobutyl-3,3-difluoroazepine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-3,3-difluoroazepine;hydrochloride
PubChem CID175212819
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-cyclobutyl-3,3-difluoroazepine;hydrochloride
SMILESCl.FC1(F)C=CC=CN=C1C1CCC1
InChIInChI=1S/C10H11F2N.ClH/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;1H
InChIKeyAYQUQANJYCDMDQ-UHFFFAOYSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclobutyl-3,3-difluoroazepine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3,3-difluoroazepine;hydrochloride?
The IUPAC name of 2-cyclobutyl-3,3-difluoroazepine;hydrochloride (CID 175212819) is 2-cyclobutyl-3,3-difluoroazepine;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-3,3-difluoroazepine;hydrochloride?
The canonical SMILES for 2-cyclobutyl-3,3-difluoroazepine;hydrochloride is Cl.FC1(F)C=CC=CN=C1C1CCC1.
What is the InChIKey of 2-cyclobutyl-3,3-difluoroazepine;hydrochloride?
The InChIKey is AYQUQANJYCDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N.ClH/c11-10(12)6-1-2-7-13-9(10)8-4-3-5-8;/h1-2,6-8H,3-5H2;1H.
What are the key properties of 2-cyclobutyl-3,3-difluoroazepine;hydrochloride?
2-cyclobutyl-3,3-difluoroazepine;hydrochloride has a molecular weight of 219.66 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3,3-difluoroazepine;hydrochloride is sourced from PubChem (CID 175212819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).